PDB entry 1ra6



Warnings!

Structure
SpacegroupP 65
Cell dimensionsa: 127.590 Åb: 127.590 Åc: 112.971 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 67110Test set: 6807 (10.1%)
Resolution range26.94 Å2.01 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23100.23710.18450.1963
R-free0.24700.24170.21360.2267
σR-free 0.00210.00180.0019
R-free Z-score 15.670.060.37

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.774-0.693-0.725
2nd generation packing quality1-1.540-1.259-1.162
Ramachandran plot appearance1-1.515-0.396-0.558
Chi-1/Chi-2 rotamer normality1-1.371-0.584-0.682
Backbone conformation1-0.351-0.623-0.533
Bond length RMS Z-score20.3200.4950.530
Bond angle RMS Z-score20.6200.6830.703
Total number of bumps3954839
Unsatisfied H-bond donors/acceptors3202023
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues271138
Significantly deteriorated residues18
Changes of all residuesPlot Plot

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